1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine

C13H18ClN3 — CID 79038510

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
SMILESClc1cccc(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H18ClN3/c14-13-3-1-2-11(15-13)10-16-6-8-17(9-7-16)12-4-5-12/h1-3,12H,4-10H2
InChIKeyHBSJDYGDULIHNG-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.02
Rot. Bonds3

About 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine

1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine (PubChem CID 79038510) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
PubChem CID79038510
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
SMILESClc1cccc(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H18ClN3/c14-13-3-1-2-11(15-13)10-16-6-8-17(9-7-16)12-4-5-12/h1-3,12H,4-10H2
InChIKeyHBSJDYGDULIHNG-UHFFFAOYSA-N
XLogP2.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79243577
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
6-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylpyridin-2-amine
CID 79243399
N-[[6-[(4-cyclopropylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905371
1-[4-[(6-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79038456
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 79037993
1-benzyl-4-cyclopropylpiperazine
CID 69195043
2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine
CID 79240655
1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79039473
5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55127735

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine (CID 79038510) is 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine is Clc1cccc(CN2CCN(C3CC3)CC2)n1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine?
The InChIKey is HBSJDYGDULIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-13-3-1-2-11(15-13)10-16-6-8-17(9-7-16)12-4-5-12/h1-3,12H,4-10H2.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine?
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine has a molecular weight of 251.76 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 79038510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).